4-methyl-3-nitro-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C26H24N4O4S MolecularWeight: 488.55816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O4S/c1-15(2)19-10-11-23-21(12-19)28-25(34-23)18-8-5-17(6-9-18)14-27-26(35)29-24(31)20-7-4-16(3)22(13-20)30(32)33/h4-13,15H,14H2,1-3H3,(H2,27,29,31,35)